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Environmental fate & pathways

Endpoint summary

Administrative data

Description of key information

Stability:

Hydrolysis:

Half life of hydrolysis of test chemical aluminum tris(4-{[3-carboxy-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzenesulfonate)was estimated by using OECD QSAR tool box v3.3 and using five closest read across chemicals with log kow as primary descriptor. The half life of hydrolysis of test chemical aluminum tris(4-{[3-carboxy-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzenesulfonate) was determined to be 224.78 days .

On the basis of half life of hydrolysis value it is concluded that this test chemical is not hydrolysable.

Biodegradation:

Biodegradation in water:

The biodegradability of test chemical aluminum tris(4-{[3-carboxy-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzenesulfonate) (CAS no. 12225 -21 -7) was estimated by using OECD QSAR tool box v3.3 and using six closest read across chemical with log kow as primary descriptor. The percent biodegradability of test chemical aluminum tris(4-{[3-carboxy-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzenesulfonate)was estimated to be 0.5 % by considering BOD as parameter  and microrganisms as inoculum in 28 days. On the basis of perent biodegradability it is concluded that this test chemical is not readily biodegradable.

Biodegradation in water and sediments:

Estimation Programs Interface (EPI Suite, 2017) prediction model was run to predict the half-life in water and sediment for the test compound  aluminum tris(4-{[3-carboxy-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzenesulfonate) (CAS No: 12225-21-7). If released in to the environment, 14.7 % of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of test chemical aluminum tris(4-{[3-carboxy-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzenesulfonate) in water is estimated to be 37.5 days (900 hrs). The half-life (37.5 days estimated by EPI suite) indicates that the chemical is not persistent in water and the exposure risk to aquatic animals is low whereas the half-life period of aluminum tris(4-{[3-carboxy-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzenesulfonate) in sediment is estimated to be 337.5 days (8100 hrs). However, at the percentage release of test chemical into sediments is less than 1% (i.e., reported as 0.163%) indicates that test chemical is not persistent in sediments as well.

Biodegradation in Soil:

The half-life period of aluminum tris(4-{[3-carboxy-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzenesulfonate) (CAS No: 12225 -21 -7) in soil was estimated using Level III Fugacity Model by EPI Suite version 4.1 estimation database (EPI suite, 2017). If released into the environment, 85.1 % of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of test chemical aluminum tris(4-{[3-carboxy-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzenesulfonate) in soil is estimated to be 75 days (1800 hrs). Based on this half-life value of test chemical aluminum tris(4-{[3-carboxy-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzenesulfonate), it is concluded that the chemical is not persistent in the soil environment and the exposure risk to soil dwelling animals is low.

Bioaccumulation:

Bioaccumulation: aquatic sediments:

From BCFBAF Program (v3.00) model of EPI suite the estimated bio concentration factor (BCF) for  test chemical aluminum tris(4-{[3-carboxy-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzenesulfonate) (CAS No: 12225-21-7) is 3.162 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000. Thus it is concluded that the test chemical aluminum tris(4-{[3-carboxy-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzenesulfonate) is not expected to bio accumulate in the aquatic environment.

Transport and distribution:

Adsorption/desorption:

The adsorption coefficient Koc in soil and in sewage sludge aluminum tris(4-{[3-carboxy-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzenesulfonate) (CAS No. 12225-21-7) was determined by the Reverse Phase High Performance Liquid Chromatographic method. The reference substances were chosen according to estimated Koc range of the test substance and generalized calibration graph was prepared. The reference substances were 2-nitrophenol, nitrobenzene, 4-nitrobenzamide, N, N-dimethylbenzamide, Nmethylbenzamide and benzamide were chosen having Koc value ranging from 1.239 to 2.4.

The Log Koc value of test chemical aluminum tris(4-{[3-carboxy-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzenesulfonate) was determined to be 0.7040 dimensionless at 25°C. Based on the value of log Koc it is concluded that this test chemical has negligible sorption to soil and sediments and therefore has rapid migration potential to ground water.

Additional information

Stability:

Hydrolysis:

Results of predicted data study of target chemical tris (4-{[3-carboxy-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzenesulfonate)and experimental study of its parent compound as read across chemicals are summarized below for hydrolysis endpoint.

 

In first weight of evidence study the half life of hydrolysis of test chemical aluminum tris(4-{[3-carboxy-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzenesulfonate)was estimated by using OECD QSAR tool box v3.3 and using five closest read across chemicals with log kow as primary descriptor. The half life of hydrolysis of test chemical aluminum tris(4-{[3-carboxy-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzenesulfonate) was determined to be 224.78 days. On the basis of half life of hydrolysis value it is concluded that this test chemical is not hydrolysable.

 

Next study was experimental study done from authoritative database (HSDB, 2017) for read across chemical trisodium 5-hydroxy-1-(4-sulphophenyl)-4-(4-sulphophenylazo)pyrazole-3-carboxylate (CAS no. 1934 -21 -0) In this study the read across chemical is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions On the basis of this it is concluded that this read across chemical is not hydrolysable.

 

Last study was also experimental study done from same source as mentioned above (HSDB, 2017) for another read across chemical Disodium 6-hydroxy-5-[(4-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate (CAS no. 2783 -94 -0). In this study the read across chemical is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions On the basis of this it is concluded that this read across chemical is not hydrolysable.

On the basis of all the studies mentioned above it is concluded that half life of test chemical aluminum tris(4-{[3-carboxy-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzenesulfonate) was 224.78 days. By considering half life value it is concluded that this test chemical is not hydrolysable and other both experimental studies of read across chemical also support it.

Biodegradation:

Biodegradation in water:

Results of predicted data studies for target chemical aluminum tris (4-{[3-carboxy-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzenesulfonate) (CAS no. 12225-21-7) and experimental studies for its parent compound as read across chemical are summarized below for biodegradation in water endpoint.

 

In first weight of evidence study the biodegradability of test chemical aluminum tris(4-{[3-carboxy-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzenesulfonate) (CAS no. 12225-21-7) was estimated by using OECD QSAR tool box v3.3 and using six closest read across chemical with log kow as primary descriptor. The percent biodegradability of test chemical aluminum tris(4-{[3-carboxy-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzenesulfonate)was estimated to be 0.5 % by considering BOD as parameter  and microrganisms as inoculum in 28 days. On the basis of percent biodegradability it is concluded that this test chemical is not readily biodegradable.

 

Next study was predicted data study as another weight of evidence in this study Estimation Programs Interface Suite (EPI suite, 2017) was run to predict the biodegradation potential of the test chemical aluminum tris(4-{[3-carboxy-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzenesulfonate)(CAS No: 12225 -21 -7) in the presence of mixed populations of environmental microorganisms. The biodegradability of the substance was calculated using seven different models such as Linear Model, Non-Linear Model, Ultimate Biodegradation Timeframe, Primary Biodegradation Timeframe, MITI Linear Model, MITI Non-Linear Model and Anaerobic Model (called as Biowin 1-7, respectively) of the BIOWIN v4.10 software. The results indicate that chemical  aluminum tris(4-{[3-carboxy-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzenesulfonate) is not readily biodegradable.

Next study was experimental study of parent compound of target chemical as read across chemical in this study the aim was to determine the microbial decomposition of Food yellow 4 dye(tartrazine). The biodegradation of read across chemical was determined by three methods under aerobic conditions: Aerobic decomposition of dyes with sludge, Oxygen uptake and BOD determination.

During 10 days of the aerobic experiment, the absorbance of dye solution was measured once in a day for 10 days. 20% decomposition of read across chemical was obtained in 10 days. 3.82 O2 mg/hg – sludge oxygen uptake was obtained in 5 hrs test and the dissolved oxygen contents on the 5th day were essentially the same to initial ones. The low reactivity of aerobic sludge towards dyes was confirmed.

Based on the results obtained from the aerobic degradation assay, Warburg method and BOD determination it can be concluded that tartrazine is not readily biodegradable under aerobic conditions.

 

Another study was also experimental study for parent compound of target chemical as read across chemical in this study the Biodegradability of read across chemical trisodium 5-hydroxy-1-(4-sulphophenyl)-4-(4-sulphophenylazo)pyrazole-3-carboxylate (Acid yellow 23) was determined by anlysing percent recovery of read across material. This read across material is dye and inoculums used for biodegradation was obtained from Screened raw waste water from greater Cincinnati Mill Creek sewage treatment plant was used as influent (INF) to three pilot scale activated sludge biological treatment systems (Two experimental and one control). Each system consists of primary clarifier, complete mix aeration basin and secondary clarifier. Influent was spiked with test material at concentration of1 mg/L and 5 mg/L. Then Dye analytical studies were conducted by purified dye compound in organic free influent waste water and mixed liquor. Then influent, primary influent filtrate was passed through column packed with resin. The filter paper and resin were soaked in an ammonia – acetonitrile solution and then soxhlet extracted with ammonia – acetonitrile. The extract was concentrated and brought upto 50 ml volumn with methanol/dimethyl formamaide solution. All extracted samples were analyzed by HPLC with ultraviolet detector.

Percent recovery determined was 107 % in low spiked and 103 % in high spiked. On the basis of percent recovery value biodegradation of dye was negligible i.e., 0%. Percent biodegradation of read across chemical trisodium 5-hydroxy-1-(4-sulphophenyl)-4-(4-sulphophenylazo) pyrazole-3-carboxylatewas observed to be 0.0 % by test material analysis by HPLC parameter. On the basis of percent degradation it is concluded that this read across material is not readily biodegradable.

 

Last study was also experimental study done for structurally similar read across chemical in this study Biodegradation experiment of read across substance4-Amino-1,1’-azobenzene-3,4'-disulfonic acid (acid yellow 9) was performed using 15 differentStreptomyces spp. for 14 days.The test was performed using 15 different Streptomyces spp as an inoculum. The test substance conc. Used was 50 mg/l.

Each Streptomyces spp. was grown in a cotton-plugged 250 ml flask containing 25 ml of the following medium: 0.2 M Tris buffer (pH 7.6) 100 ml, 1.0g vitamin-free Casamino acids, 100 µg thiamine, 100 µg biotin, 2 g D-glucose, 900 ml deionized wate. Thiamine, biotin, and D-glucose were filter sterilized and added to the autoclaved medium. The dye was filter sterilized and added at 0.005% (w/v) to the autoclaved basal medium. Cultures were incubated at 37ᵒC for 14 days with shaking (200 rev min1). Three replicates for each strain grown in only the basal medium were incubated as well.

Degradation of read acros substance was determined by spectrophotometrically and by using HPLC.

Degradation of the read across substance was confirmed by HPLC. A Hewlett-Packard HP 1090 Liquid Chromatograph equipped with a HP 40 diode array UV-VIS detector and automatic injector was used. The chromatograph was controlled by an HP 9000 series 300 computer which used HP 7995 A ChemStation software. A reverse phase column from Phenomenex (Rancho Palos Verdes, CA, type Spherex 5C 18 size 250 × 2.0 mm, s/no PP/6474A) was used. Each 15-min analysis used a solvent gradient of acetonitrile (solvent A) and 10mM DMS buffer pH 4.5 (solvent B), with the following conditions: 0-5 min, 100% A; 5-12 min, 25% A, 75% B; 12-15 min, 100% B; post time 2 min, injection volume 10µl. Absorption was measured at 250, 325, 350, 400 and 450 nm, and spectra were collected automatically by the peak controller.

 

Spectrophotometric assay was also carried out. A 1 ml sample of actinomycete culture medium was centrifuged and then diluted 2.5 fold with water. Azo dye substrate present was then measured spectrophotometrically (Hewlett-Packard 8452 diode array spectrophotometer operated by PC Vectra computer with HP’s MSTM-DOS/UV-VIS software).The percentage biodegradation of read across substance was determined to be 0% i.e; no degradation of test substance was observed by the 15 different Streptomyces spp. Thus, read across substance was considered to be non-biodegradable.

 

All the studies mentioned above shows that the target chemical, its parent compound and its structurally similar read across chemical is not degradable in water. Therefore it is can be concluded target chemical aluminum tris(4-{[3-carboxy-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzenesulfonate) (CAS no. 12225 -21 -7) is not readily biodegradable.

Biodegradation in water and sediments:

Estimation Programs Interface (EPI Suite, 2017) prediction model was run to predict the half-life in water and sediment for the test compound  aluminum tris(4-{[3-carboxy-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzenesulfonate) (CAS No: 12225-21-7). If released in to the environment, 14.7 % of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of test chemical aluminum tris(4-{[3-carboxy-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzenesulfonate) in water is estimated to be 37.5 days (900 hrs). The half-life (37.5 days estimated by EPI suite) indicates that the chemical is not persistent in water and the exposure risk to aquatic animals is low whereas the half-life period of aluminum tris(4-{[3-carboxy-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzenesulfonate) in sediment is estimated to be 337.5 days (8100 hrs). However, at the percentage release of test chemical into sediments is less than 1% (i.e., reported as 0.163%) indicates that test chemical is not persistent in sediments as well.

Biodegradation in Soil:

The half-life period of aluminum tris(4-{[3-carboxy-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzenesulfonate) (CAS No: 12225 -21 -7) in soil was estimated using Level III Fugacity Model by EPI Suite version 4.1 estimation database (EPI suite, 2017). If released into the environment, 85.1 % of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of test chemical aluminum tris(4-{[3-carboxy-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzenesulfonate) in soil is estimated to be 75 days (1800 hrs). Based on this half-life value of test chemical aluminum tris(4-{[3-carboxy-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzenesulfonate), it is concluded that the chemical is not persistent in the soil environment and the exposure risk to soil dwelling animals is low.

Bioaccumulation:

Bioaccumulation: aquatic sediments:

Results of predicted data study for target compound aluminum tris(4-{[3-carboxy-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzenesulfonate) (CAS No: 12225-21-7) and experimental study for its parent compound as read across chemical are summarized below for bioaccumulation in water and sediment endpoint.

 

In a key study prediction was done from BCFBAF Program (v3.00) model of Estimation Program interface Interface (EPI suite, 2017) in this study the estimated bio concentration factor (BCF) for  test chemical aluminum tris(4-{[3-carboxy-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzenesulfonate)(CAS No: 12225-21-7) was 3.162 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000. Thus it is concluded that the test chemical aluminum tris(4-{[3-carboxy-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzenesulfonate) is not expected to bio accumulate in the aquatic environment.

Another study was supporting experimental study for parent compound of target chemical as read across chemical from authoritative database ( Jcheck, 2017) in this study the Bioaccumulation test was conducted for 6 weeks for determination the bioconcentration factor (BCF) of read across chemical trisodium 5-hydroxy-1-(4-sulphophenyl)-4-(4-sulphophenylazo)pyrazole-3-carboxylate (CAS no 1934-21-0) on test organism Cyprinus carpio. Recovery ratio of Test water was at 1st concentration area: 91.7 % and at 2nd concentration area: 83 .0%, Fish: 90.6 %, and Limit of detection in Fish was 0.17 mg/L

Nominal concentrations used was 1st Concentration area: 0.6 mg/L (w/v), 2nd Concentration area: 0.06 mg/L (w/v) and Range finding study was carried out on Rice fish (Oryzias latipes) TLm(48h) ≥ 1000 ppm(w/v). The lipid content of fish was 2.8 %.

 

Thus according to static Fish test the BCF value for read across chemical trisodium 5-hydroxy-1-(4-sulphophenyl)-4-(4-sulphophenylazo)pyrazole-3-carboxylate was observed to be ≤0.29 L/kg at dose concentration 0.6 mg/L and ≤ 3 L/kg at dose concentration 0.06 mg/L on test organism Cyprinus carpio during 6 weeks period.These BCF values indicate that the read across substance trisodium 5-hydroxy-1-(4-sulphophenyl)-4-(4-sulphophenylazo)pyrazole-3-carboxylate is not bioaccumulative in fish and food chain as these values are far less than 2000 criteria.

 

On the basis of both the studies mentioned above it is concluded that test chemical aluminum tris(4-{[3-carboxy-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzenesulfonate)(CAS No: 12225-21-7) is non bioaccumulative in nature.

Transport and Distribution:

Adsorption/desorption:

Experimental studies for target chemical aluminum tris(4-{[3-carboxy-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzenesulfonate) (CAS No. 12225-21-7) and for its parent compound as read across chemical are summarized below for adsorption endpoint.

In a key study the adsorption coefficient Koc in soil and in sewage sludge for target chemical aluminum tris(4-{[3-carboxy-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzenesulfonate) (CAS No. 12225-21-7) was determined by the Reverse Phase High Performance Liquid Chromatographic method. The reference substances were chosen according to estimated Koc range of the test substance and generalized calibration graph was prepared. The reference substances were 2-nitrophenol, nitrobenzene, 4-nitrobenzamide, N, N-dimethylbenzamide, Nmethylbenzamide and benzamide were chosen having Koc value ranging from 1.239 to 2.4.

The Log Koc value of test chemical aluminum tris (4-{[3-carboxy-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzenesulfonate) was determined to be 0.7040 dimensionless at 25°C. Based on the value of log Koc it is concluded that this test chemical has negligible sorption to soil and sediments and therefore has rapid migration potential to ground water.

 

Next study was supporting study done from U.P.B. Science Bulletin (Series B, Vol. 78, Iss. 1, 2016 P.137-148 ) in this study the Soil adsorption test was conducted for read across chemical tartrazine by using sorption floatation method. Initial concentration of read across chemical was 5-500 mg/L with pH range of 7-9 at temperature 20 deg C were selected to study tartrazine removal efficiency. The removal efficiency of chemical tartrazine was determined to be 9% using soil as adsorbent in sorption floatation technique.

 

Last study was also supporting study done from Afinidad 66, no. 544 (2009) for read across chemical in this studytThe capacity of a Romanian soil to retain Acid Yellow 23 from aqueous solution by sorption has been investigated.

The experiments were performed by using a natural soil sampled from the depth of 0-15 cm in the industrial area of the city of Iasi during the summer time (July 2008) that was previously dried and further screened to achieve soil particles size of above 2 mm, equilibration being carried-out with solution of CaCl2. For the equilibrium study, 50 ml Acid Yellow 23 of different concentrations were mixed with a dose of 12 g/L soil, the mixture being subjected to stirring at the room temperature as long it was needed to reach the equilibrium. The Freundlich, Langmuir and linear isotherm models were applied to describe the process and the parameters of these equations were calculated.

The sorption equilibrium revealed that the soil with particles higher than 2 mm may uptake 0.25 mg/g.

The sorption process is best represented by the Langmuir isotherm. The results reveal that the sorption of Acid Yellow 23 onto particles of soils follows a pseudo second order kinetics, suggesting that the chemisorption is the rate controlling mechanism.

The organic carbon normalized sorption coefficient Koc = 151.46 L/Kg. The very low value of Koc shows that the dye tend to remain in solution indicating also its very high mobility, since it is considered that sorption coefficients less than 500 indicate a considerable potential for losses through leaching. The low value of the organic carbon normalized sorption coefficient Koc suggests a high potential of leaching that could result in contamination of the groundwater.

By considering key study mentioned avove it is concluded that test chemical aluminum tris(4-{[3-carboxy-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzenesulfonate) (CAS No. 12225-21-7) negligible sorption to soil and sediments and therefore has rapid migration potential to ground water and other both the studies corroborate this result.